[4-(5-hexylpyridin-2-yl)phenyl] 2-fluoranyl-4-octyl-benzoate

Systemtic Name: [4-(5-hexylpyridin-2-yl)phenyl] 2-fluoranyl-4-octyl-benzoate Openeye Name: [4-(5-hexyl-2-pyridyl)phenyl] 2-fluoro-4-octyl-benzoate CAS Name: 2-fluoro-4-octylbenzoic acid [4-(5-hexyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyridin-2-yl)phenyl] 2-fluoro-4-octylbenzoate Traditional Name: 2-fluoro-4-octyl-benzoic acid [4-(5-hexyl-2-pyridyl)phenyl] ester Formula: C32H40FNO2 MolecularWeight: 489.663903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCCCC)F

InChI

InChI=1S/C32H40FNO2/c1-3-5-7-9-10-12-13-25-15-21-29(30(33)23-25)32(35)36-28-19-17-27(18-20-28)31-22-16-26(24-34-31)14-11-8-6-4-2/h15-24H,3-14H2,1-2H3